1-(2-cyclopentylethyl)triazole

C9H15N3 — CID 57067095

IUPAC1-(2-cyclopentylethyl)triazole
SMILESc1cn(CCC2CCCC2)nn1
InChIInChI=1S/C9H15N3/c1-2-4-9(3-1)5-7-12-8-6-10-11-12/h6,8-9H,1-5,7H2
InChIKeyYXRHBIVMLHZAAI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-cyclopentylethyl)triazole

1-(2-cyclopentylethyl)triazole (PubChem CID 57067095) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)triazole.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)triazole
PubChem CID57067095
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(2-cyclopentylethyl)triazole
SMILESc1cn(CCC2CCCC2)nn1
InChIInChI=1S/C9H15N3/c1-2-4-9(3-1)5-7-12-8-6-10-11-12/h6,8-9H,1-5,7H2
InChIKeyYXRHBIVMLHZAAI-UHFFFAOYSA-N
XLogP1.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)triazole?
The IUPAC name of 1-(2-cyclopentylethyl)triazole (CID 57067095) is 1-(2-cyclopentylethyl)triazole.
What is the SMILES notation for 1-(2-cyclopentylethyl)triazole?
The canonical SMILES for 1-(2-cyclopentylethyl)triazole is c1cn(CCC2CCCC2)nn1.
What is the InChIKey of 1-(2-cyclopentylethyl)triazole?
The InChIKey is YXRHBIVMLHZAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-4-9(3-1)5-7-12-8-6-10-11-12/h6,8-9H,1-5,7H2.
What are the key properties of 1-(2-cyclopentylethyl)triazole?
1-(2-cyclopentylethyl)triazole has a molecular weight of 165.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)triazole is sourced from PubChem (CID 57067095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).